C39
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.41Å | |
| O2 | C3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | O6 | sing | 1.43Å | 1.42Å | |
| O6 | C7 | sing | 1.36Å | 1.39Å | |
| C7 | C8 | sing | 1.39Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.36Å | Aromatic |
| C7 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.36Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.38Å | |
| C13 | O14 | doub | 1.22Å | 1.21Å | |
| C13 | N15 | sing | 1.35Å | 1.30Å | |
| N15 | C16 | sing | 1.47Å | 1.44Å | |
| C16 | C17 | sing | 1.53Å | 1.49Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C17 | C21 | sing | 1.53Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C22 | N23 | sing | 1.47Å | 1.43Å | |
| C22 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | O25 | sing | 1.43Å | 1.43Å | |
| C24 | C26 | sing | 1.53Å | 1.49Å | |
| C26 | C27 | sing | 1.53Å | 1.50Å | |
| C27 | C28 | sing | 1.53Å | 1.50Å | |
| C27 | C29 | sing | 1.51Å | 1.49Å | |
| C29 | O30 | doub | 1.21Å | 1.21Å | |
| C29 | N31 | sing | 1.35Å | 1.30Å | |
| N31 | C32 | sing | 1.46Å | 1.43Å | |
| C32 | C33 | sing | 1.53Å | 1.50Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C34 | C35 | sing | 1.53Å | 1.56Å | |
| C1 | H1C1 | sing | 1.09Å | 1.10Å | |
| C1 | H1C2 | sing | 1.09Å | 1.10Å | |
| C1 | H1C3 | sing | 1.09Å | 1.10Å | |
| C3 | H3C1 | sing | 1.09Å | 1.10Å | |
| C3 | H3C2 | sing | 1.09Å | 1.10Å | |
| C4 | H4C1 | sing | 1.09Å | 1.10Å | |
| C4 | H4C2 | sing | 1.09Å | 1.10Å | |
| C5 | H5C1 | sing | 1.09Å | 1.10Å | |
| C5 | H5C2 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N15 | H15 | sing | 0.97Å | 1.00Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| N23 | H231 | sing | 1.01Å | 1.00Å | |
| N23 | H232 | sing | 1.01Å | 1.00Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| N31 | H31 | sing | 0.97Å | 1.00Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 109.1° | 114.0° |
| O2 | C1 | H1C1 | 109.5° | 109.4° |
| O2 | C1 | H1C2 | 109.5° | 109.5° |
| O2 | C1 | H1C3 | 109.5° | 109.4° |
| O2 | C3 | C4 | 110.6° | 109.5° |
| O2 | C3 | H3C1 | 109.1° | 109.4° |
| O2 | C3 | H3C2 | 108.8° | 109.4° |
| C3 | C4 | C5 | 113.2° | 109.5° |
| C4 | C3 | H3C1 | 109.1° | 109.5° |
| C4 | C3 | H3C2 | 108.8° | 109.5° |
| C3 | C4 | H4C1 | 108.3° | 109.5° |
| C3 | C4 | H4C2 | 107.4° | 109.5° |
| C4 | C5 | O6 | 111.6° | 109.5° |
| C5 | C4 | H4C1 | 108.2° | 109.5° |
| C5 | C4 | H4C2 | 107.4° | 109.5° |
| C4 | C5 | H5C1 | 108.8° | 109.5° |
| C4 | C5 | H5C2 | 108.3° | 109.4° |
| C5 | O6 | C7 | 122.4° | 117.0° |
| O6 | C5 | H5C1 | 108.8° | 109.5° |
| O6 | C5 | H5C2 | 108.3° | 109.5° |
| O6 | C7 | C8 | 113.2° | 120.1° |
| O6 | C7 | C12 | 127.3° | 120.2° |
| C7 | C8 | C9 | 119.0° | 120.1° |
| C8 | C7 | C12 | 119.5° | 119.7° |
| C7 | C8 | H8 | 120.5° | 120.0° |
| C8 | C9 | C10 | 120.5° | 120.4° |
| C9 | C8 | H8 | 120.5° | 120.0° |
| C8 | C9 | H9 | 119.7° | 119.8° |
| C9 | C10 | C11 | 121.9° | 120.3° |
| C10 | C9 | H9 | 119.7° | 119.8° |
| C9 | C10 | H10 | 119.1° | 119.9° |
| C10 | C11 | C12 | 117.8° | 119.9° |
| C11 | C10 | H10 | 119.1° | 119.8° |
| C10 | C11 | H11 | 121.1° | 120.0° |
| C7 | C12 | C11 | 121.3° | 119.6° |
| C7 | C12 | C13 | 119.9° | 120.2° |
| C11 | C12 | C13 | 118.4° | 120.2° |
| C12 | C11 | H11 | 121.1° | 120.1° |
| C12 | C13 | O14 | 120.0° | 120.0° |
| C12 | C13 | N15 | 117.8° | 120.0° |
| O14 | C13 | N15 | 119.8° | 120.0° |
| C13 | N15 | C16 | 120.8° | 120.0° |
| C13 | N15 | H15 | 119.6° | 120.0° |
| N15 | C16 | C17 | 109.6° | 109.5° |
| C16 | N15 | H15 | 119.6° | 120.0° |
| N15 | C16 | H161 | 109.5° | 109.4° |
| N15 | C16 | H162 | 109.4° | 109.4° |
| C16 | C17 | C18 | 114.2° | 109.5° |
| C16 | C17 | C21 | 110.3° | 109.4° |
| C17 | C16 | H161 | 109.4° | 109.5° |
| C17 | C16 | H162 | 109.4° | 109.5° |
| C16 | C17 | H17 | 104.9° | 109.4° |
| C17 | C18 | C19 | 115.2° | 109.4° |
| C17 | C18 | C20 | 116.2° | 109.5° |
| C18 | C17 | C21 | 107.1° | 109.5° |
| C18 | C17 | H17 | 108.2° | 109.5° |
| C17 | C18 | H18 | 100.9° | 109.5° |
| C19 | C18 | C20 | 112.7° | 109.5° |
| C19 | C18 | H18 | 105.5° | 109.5° |
| C18 | C19 | H191 | 109.5° | 109.5° |
| C18 | C19 | H192 | 109.5° | 109.5° |
| C18 | C19 | H193 | 109.5° | 109.5° |
| C20 | C18 | H18 | 104.2° | 109.5° |
| C18 | C20 | H201 | 109.5° | 109.5° |
| C18 | C20 | H202 | 109.5° | 109.5° |
| C18 | C20 | H203 | 109.5° | 109.5° |
| C17 | C21 | C22 | 125.1° | 109.5° |
| C21 | C17 | H17 | 112.3° | 109.5° |
| C17 | C21 | H211 | 104.5° | 109.5° |
| C17 | C21 | H212 | 100.8° | 109.4° |
| C21 | C22 | N23 | 108.6° | 109.5° |
| C21 | C22 | C24 | 113.1° | 109.5° |
| C22 | C21 | H211 | 104.5° | 109.5° |
| C22 | C21 | H212 | 100.9° | 109.4° |
| C21 | C22 | H22 | 106.4° | 109.5° |
| N23 | C22 | C24 | 105.4° | 109.5° |
| N23 | C22 | H22 | 114.0° | 109.4° |
| C22 | N23 | H231 | 109.5° | 111.0° |
| C22 | N23 | H232 | 109.5° | 111.0° |
| C22 | C24 | O25 | 104.3° | 109.5° |
| C22 | C24 | C26 | 114.7° | 109.5° |
| C24 | C22 | H22 | 109.6° | 109.4° |
| C22 | C24 | H24 | 109.3° | 109.5° |
| O25 | C24 | C26 | 108.6° | 109.4° |
| O25 | C24 | H24 | 115.4° | 109.5° |
| C24 | O25 | H25 | 109.5° | 114.0° |
| C24 | C26 | C27 | 115.3° | 109.5° |
| C26 | C24 | H24 | 105.0° | 109.4° |
| C24 | C26 | H261 | 107.6° | 109.5° |
| C24 | C26 | H262 | 106.2° | 109.5° |
| C26 | C27 | C28 | 108.4° | 109.5° |
| C26 | C27 | C29 | 112.9° | 109.5° |
| C27 | C26 | H261 | 107.6° | 109.4° |
| C27 | C26 | H262 | 106.3° | 109.4° |
| C26 | C27 | H27 | 107.4° | 109.5° |
| C28 | C27 | C29 | 107.9° | 109.5° |
| C28 | C27 | H27 | 112.4° | 109.5° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.5° |
| C27 | C28 | H283 | 109.4° | 109.5° |
| C27 | C29 | O30 | 119.1° | 120.0° |
| C27 | C29 | N31 | 122.4° | 120.1° |
| C29 | C27 | H27 | 107.9° | 109.5° |
| O30 | C29 | N31 | 118.5° | 119.9° |
| C29 | N31 | C32 | 119.1° | 120.0° |
| C29 | N31 | H31 | 120.4° | 120.0° |
| N31 | C32 | C33 | 108.3° | 109.5° |
| C32 | N31 | H31 | 120.5° | 120.0° |
| N31 | C32 | H321 | 109.9° | 109.4° |
| N31 | C32 | H322 | 110.1° | 109.5° |
| C32 | C33 | C34 | 110.7° | 109.5° |
| C33 | C32 | H321 | 109.8° | 109.5° |
| C33 | C32 | H322 | 110.1° | 109.5° |
| C32 | C33 | H331 | 109.1° | 109.5° |
| C32 | C33 | H332 | 108.8° | 109.5° |
| C33 | C34 | C35 | 112.0° | 109.5° |
| C34 | C33 | H331 | 109.1° | 109.4° |
| C34 | C33 | H332 | 108.8° | 109.5° |
| C33 | C34 | H341 | 108.6° | 109.5° |
| C33 | C34 | H342 | 108.1° | 109.5° |
| C35 | C34 | H341 | 108.7° | 109.5° |
| C35 | C34 | H342 | 108.0° | 109.5° |
| C34 | C35 | H351 | 109.5° | 109.5° |
| C34 | C35 | H352 | 109.5° | 109.5° |
| C34 | C35 | H353 | 109.5° | 109.5° |
| H1C1 | C1 | H1C2 | 109.5° | 109.5° |
| H1C1 | C1 | H1C3 | 109.5° | 109.5° |
| H1C2 | C1 | H1C3 | 109.5° | 109.5° |
| H3C1 | C3 | H3C2 | 110.4° | 109.5° |
| H4C1 | C4 | H4C2 | 112.5° | 109.4° |
| H5C1 | C5 | H5C2 | 111.2° | 109.5° |
| H161 | C16 | H162 | 109.6° | 109.5° |
| H211 | C21 | H212 | 122.8° | 109.5° |
| H191 | C19 | H192 | 109.4° | 109.5° |
| H191 | C19 | H193 | 109.4° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.4° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.4° |
| H231 | N23 | H232 | 109.5° | 111.0° |
| H261 | C26 | H262 | 114.1° | 109.5° |
| H281 | C28 | H282 | 109.4° | 109.4° |
| H281 | C28 | H283 | 109.5° | 109.4° |
| H282 | C28 | H283 | 109.5° | 109.5° |
| H321 | C32 | H322 | 108.6° | 109.5° |
| H331 | C33 | H332 | 110.4° | 109.5° |
| H341 | C34 | H342 | 111.5° | 109.4° |
| H351 | C35 | H352 | 109.5° | 109.4° |
| H351 | C35 | H353 | 109.5° | 109.5° |
| H352 | C35 | H353 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | C4 | 111.9° | 180.0° |
| O2 | C1 | H1C1 | H1C2 | 120.0° | 120.0° |
| O2 | C1 | H1C1 | H1C3 | 120.0° | 120.0° |
| O2 | C1 | H1C2 | H1C3 | 120.0° | 119.9° |
| C1 | O2 | C3 | H3C1 | 128.1° | 60.0° |
| C1 | O2 | C3 | H3C2 | 7.6° | 60.0° |
| O2 | C3 | C4 | H3C1 | 120.0° | 120.0° |
| O2 | C3 | C4 | H3C2 | 119.5° | 120.0° |
| O2 | C3 | C4 | C5 | 129.5° | 180.0° |
| C3 | O2 | C1 | H1C1 | 68.3° | 180.0° |
| C3 | O2 | C1 | H1C2 | 171.7° | 60.0° |
| C3 | O2 | C1 | H1C3 | 51.7° | 60.0° |
| O2 | C3 | H3C1 | H3C2 | 119.6° | 119.9° |
| O2 | C3 | C4 | H4C1 | 110.5° | 60.0° |
| O2 | C3 | C4 | H4C2 | 11.1° | 60.0° |
| C3 | C4 | C5 | H4C1 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4C2 | 118.4° | 120.0° |
| C3 | C4 | C5 | O6 | 166.0° | 180.0° |
| C4 | C3 | H3C1 | H3C2 | 119.5° | 120.1° |
| C3 | C4 | H4C1 | H4C2 | 118.5° | 120.0° |
| C3 | C4 | C5 | H5C1 | 74.0° | 60.0° |
| C3 | C4 | C5 | H5C2 | 47.0° | 60.0° |
| C4 | C5 | O6 | H5C1 | 120.0° | 120.0° |
| C4 | C5 | O6 | H5C2 | 119.1° | 120.0° |
| C4 | C5 | O6 | C7 | 153.5° | 180.0° |
| C5 | C4 | C3 | H3C1 | 9.5° | 60.1° |
| C5 | C4 | C3 | H3C2 | 111.0° | 60.0° |
| C5 | C4 | H4C1 | H4C2 | 118.5° | 120.0° |
| C4 | C5 | H5C1 | H5C2 | 119.1° | 120.0° |
| C5 | O6 | C7 | C8 | 59.5° | 0.0° |
| C5 | O6 | C7 | C12 | 117.6° | 179.7° |
| O6 | C5 | C4 | H4C1 | 46.0° | 60.0° |
| O6 | C5 | C4 | H4C2 | 75.6° | 60.0° |
| O6 | C5 | H5C1 | H5C2 | 119.1° | 120.0° |
| O6 | C7 | C8 | C12 | 177.3° | 179.7° |
| O6 | C7 | C8 | C9 | 177.1° | 180.0° |
| O6 | C7 | C12 | C11 | 175.9° | 179.8° |
| O6 | C7 | C12 | C13 | 3.2° | 0.1° |
| C7 | O6 | C5 | H5C1 | 33.5° | 60.0° |
| C7 | O6 | C5 | H5C2 | 87.4° | 60.1° |
| O6 | C7 | C8 | H8 | 2.9° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.4° | 0.1° |
| C8 | C7 | C12 | C11 | 1.0° | 0.6° |
| C8 | C7 | C12 | C13 | 173.7° | 179.8° |
| C7 | C8 | C9 | H9 | 179.6° | 179.9° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.3° | 0.0° |
| C9 | C8 | C7 | C12 | 0.2° | 0.3° |
| C8 | C9 | C10 | H10 | 179.7° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.4° | 0.3° |
| C10 | C9 | C8 | H8 | 179.6° | 180.0° |
| C9 | C10 | C11 | H11 | 179.6° | 179.9° |
| C10 | C11 | C12 | C7 | 1.0° | 0.5° |
| C10 | C11 | C12 | H11 | 180.0° | 179.8° |
| C10 | C11 | C12 | C13 | 173.9° | 179.8° |
| C11 | C10 | C9 | H9 | 179.7° | 179.9° |
| C7 | C12 | C11 | C13 | 172.8° | 179.7° |
| C7 | C12 | C13 | O14 | 129.7° | 0.1° |
| C7 | C12 | C13 | N15 | 32.9° | 180.0° |
| C12 | C7 | C8 | H8 | 179.8° | 179.7° |
| C7 | C12 | C11 | H11 | 179.0° | 179.7° |
| C11 | C12 | C13 | O14 | 57.4° | 179.8° |
| C11 | C12 | C13 | N15 | 140.0° | 0.3° |
| C12 | C11 | C10 | H10 | 179.6° | 179.8° |
| C12 | C13 | O14 | N15 | 162.3° | 179.9° |
| C12 | C13 | N15 | C16 | 156.2° | 180.0° |
| C13 | C12 | C11 | H11 | 6.1° | 0.0° |
| C12 | C13 | N15 | H15 | 23.8° | 0.1° |
| O14 | C13 | N15 | C16 | 6.5° | 0.1° |
| O14 | C13 | N15 | H15 | 173.5° | 180.0° |
| C13 | N15 | C16 | H15 | 180.0° | 179.9° |
| C13 | N15 | C16 | C17 | 141.2° | 174.7° |
| C13 | N15 | C16 | H161 | 98.8° | 65.2° |
| C13 | N15 | C16 | H162 | 21.3° | 54.7° |
| N15 | C16 | C17 | H161 | 120.0° | 120.0° |
| N15 | C16 | C17 | H162 | 120.0° | 120.0° |
| N15 | C16 | C17 | C18 | 36.5° | 64.1° |
| N15 | C16 | C17 | C21 | 157.1° | 175.9° |
| N15 | C16 | H161 | H162 | 120.0° | 119.9° |
| N15 | C16 | C17 | H17 | 81.8° | 55.9° |
| C16 | C17 | C18 | C21 | 122.4° | 120.0° |
| C16 | C17 | C18 | H17 | 116.4° | 120.0° |
| C16 | C17 | C18 | C19 | 88.2° | 177.2° |
| C16 | C17 | C18 | C20 | 46.8° | 62.8° |
| C16 | C17 | C21 | H17 | 116.6° | 120.0° |
| C16 | C17 | C21 | C22 | 47.8° | 65.8° |
| C17 | C16 | N15 | H15 | 38.8° | 5.2° |
| C17 | C16 | H161 | H162 | 119.9° | 120.0° |
| C16 | C17 | C18 | H18 | 158.7° | 57.2° |
| C16 | C17 | C21 | H211 | 72.2° | 54.2° |
| C16 | C17 | C21 | H212 | 159.5° | 174.3° |
| C17 | C18 | C19 | C20 | 136.5° | 120.0° |
| C17 | C18 | C19 | H18 | 110.4° | 120.0° |
| C17 | C18 | C20 | H18 | 110.0° | 120.0° |
| C18 | C17 | C21 | H17 | 118.7° | 120.1° |
| C18 | C17 | C21 | C22 | 172.6° | 174.2° |
| C18 | C17 | C16 | H161 | 156.6° | 175.9° |
| C18 | C17 | C16 | H162 | 83.4° | 55.9° |
| C18 | C17 | C21 | H211 | 52.6° | 65.7° |
| C18 | C17 | C21 | H212 | 75.7° | 54.3° |
| C17 | C18 | C19 | H191 | 113.1° | 66.2° |
| C17 | C18 | C19 | H192 | 126.9° | 173.8° |
| C17 | C18 | C19 | H193 | 6.9° | 53.9° |
| C17 | C18 | C20 | H201 | 33.0° | 65.1° |
| C17 | C18 | C20 | H202 | 153.0° | 174.9° |
| C17 | C18 | C20 | H203 | 87.0° | 54.9° |
| C19 | C18 | C20 | H18 | 113.9° | 120.0° |
| C19 | C18 | C17 | C21 | 149.4° | 62.8° |
| C19 | C18 | C17 | H17 | 28.2° | 57.2° |
| C18 | C19 | H191 | H192 | 120.0° | 120.0° |
| C18 | C19 | H191 | H193 | 120.0° | 120.0° |
| C18 | C19 | H192 | H193 | 120.0° | 120.0° |
| C19 | C18 | C20 | H201 | 103.1° | 174.9° |
| C19 | C18 | C20 | H202 | 16.9° | 54.9° |
| C19 | C18 | C20 | H203 | 136.9° | 65.0° |
| C20 | C18 | C17 | C21 | 75.6° | 57.1° |
| C20 | C18 | C17 | H17 | 163.1° | 177.2° |
| C20 | C18 | C19 | H191 | 110.4° | 53.8° |
| C20 | C18 | C19 | H192 | 9.6° | 66.2° |
| C20 | C18 | C19 | H193 | 129.6° | 173.8° |
| C18 | C20 | H201 | H202 | 120.0° | 120.0° |
| C18 | C20 | H201 | H203 | 120.0° | 120.1° |
| C18 | C20 | H202 | H203 | 120.0° | 120.0° |
| C17 | C21 | C22 | H211 | 120.0° | 120.1° |
| C17 | C21 | C22 | H212 | 111.7° | 119.9° |
| C17 | C21 | C22 | N23 | 39.6° | 65.2° |
| C17 | C21 | C22 | C24 | 156.1° | 174.8° |
| C21 | C17 | C16 | H161 | 82.8° | 55.9° |
| C21 | C17 | C16 | H162 | 37.2° | 64.1° |
| C21 | C17 | C18 | H18 | 36.3° | 177.1° |
| C17 | C21 | H211 | H212 | 113.5° | 120.0° |
| C17 | C21 | C22 | H22 | 83.5° | 54.8° |
| C21 | C22 | N23 | C24 | 121.4° | 120.0° |
| C21 | C22 | N23 | H22 | 118.4° | 120.1° |
| C21 | C22 | C24 | H22 | 118.5° | 120.0° |
| C21 | C22 | C24 | O25 | 80.9° | 60.1° |
| C21 | C22 | C24 | C26 | 160.5° | 180.0° |
| C22 | C21 | C17 | H17 | 68.8° | 54.1° |
| C22 | C21 | H211 | H212 | 113.5° | 120.0° |
| C21 | C22 | N23 | H231 | 77.4° | 53.8° |
| C21 | C22 | N23 | H232 | 42.6° | 70.1° |
| C21 | C22 | C24 | H24 | 43.0° | 60.0° |
| N23 | C22 | C24 | H22 | 123.0° | 119.9° |
| N23 | C22 | C24 | O25 | 37.6° | 60.0° |
| N23 | C22 | C24 | C26 | 81.0° | 60.0° |
| N23 | C22 | C21 | H211 | 159.6° | 174.7° |
| N23 | C22 | C21 | H212 | 72.1° | 54.7° |
| C22 | N23 | H231 | H232 | 120.0° | 123.9° |
| N23 | C22 | C24 | H24 | 161.4° | 180.0° |
| C22 | C24 | O25 | C26 | 122.7° | 120.0° |
| C22 | C24 | O25 | H24 | 119.8° | 120.1° |
| C22 | C24 | C26 | H24 | 120.0° | 120.0° |
| C22 | C24 | C26 | C27 | 165.6° | 174.2° |
| C24 | C22 | C21 | H211 | 83.9° | 54.7° |
| C24 | C22 | C21 | H212 | 44.4° | 65.3° |
| C24 | C22 | N23 | H231 | 44.0° | 66.2° |
| C24 | C22 | N23 | H232 | 164.0° | 169.9° |
| C22 | C24 | O25 | H25 | 104.1° | 60.0° |
| C22 | C24 | C26 | H261 | 74.4° | 65.8° |
| C22 | C24 | C26 | H262 | 48.2° | 54.2° |
| O25 | C24 | C26 | H24 | 123.9° | 120.0° |
| O25 | C24 | C26 | C27 | 78.3° | 65.7° |
| O25 | C24 | C22 | H22 | 160.6° | 179.9° |
| O25 | C24 | C26 | H261 | 41.7° | 54.2° |
| O25 | C24 | C26 | H262 | 164.3° | 174.3° |
| C24 | C26 | C27 | H261 | 120.0° | 120.0° |
| C24 | C26 | C27 | H262 | 117.4° | 120.1° |
| C24 | C26 | C27 | C28 | 170.7° | 173.5° |
| C24 | C26 | C27 | C29 | 69.8° | 66.5° |
| C26 | C24 | C22 | H22 | 42.0° | 59.9° |
| C26 | C24 | O25 | H25 | 133.2° | 60.0° |
| C24 | C26 | H261 | H262 | 117.6° | 120.1° |
| C24 | C26 | C27 | H27 | 49.0° | 53.5° |
| C26 | C27 | C28 | C29 | 122.6° | 120.0° |
| C26 | C27 | C28 | H27 | 118.6° | 120.0° |
| C26 | C27 | C29 | H27 | 118.5° | 120.0° |
| C26 | C27 | C29 | O30 | 25.9° | 0.0° |
| C26 | C27 | C29 | N31 | 154.4° | 180.0° |
| C27 | C26 | C24 | H24 | 45.6° | 54.2° |
| C27 | C26 | H261 | H262 | 117.7° | 119.9° |
| C26 | C27 | C28 | H281 | 125.0° | 175.0° |
| C26 | C27 | C28 | H282 | 5.0° | 55.0° |
| C26 | C27 | C28 | H283 | 115.1° | 65.0° |
| C28 | C27 | C29 | H27 | 121.7° | 120.0° |
| C28 | C27 | C29 | O30 | 93.9° | 120.0° |
| C28 | C27 | C29 | N31 | 85.8° | 60.0° |
| C28 | C27 | C26 | H261 | 50.7° | 53.4° |
| C28 | C27 | C26 | H262 | 72.0° | 66.5° |
| C27 | C28 | H281 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | H283 | 120.0° | 120.0° |
| C27 | C28 | H282 | H283 | 120.0° | 120.0° |
| C27 | C29 | O30 | N31 | 179.7° | 180.0° |
| C27 | C29 | N31 | C32 | 134.2° | 180.0° |
| C29 | C27 | C26 | H261 | 170.2° | 173.5° |
| C29 | C27 | C26 | H262 | 47.5° | 53.5° |
| C29 | C27 | C28 | H281 | 112.5° | 65.0° |
| C29 | C27 | C28 | H282 | 127.5° | 175.1° |
| C29 | C27 | C28 | H283 | 7.5° | 55.0° |
| C27 | C29 | N31 | H31 | 45.8° | 0.1° |
| O30 | C29 | N31 | C32 | 46.1° | 0.0° |
| O30 | C29 | C27 | H27 | 144.4° | 120.0° |
| O30 | C29 | N31 | H31 | 133.9° | 179.9° |
| C29 | N31 | C32 | H31 | 180.0° | 179.9° |
| C29 | N31 | C32 | C33 | 153.3° | 180.0° |
| N31 | C29 | C27 | H27 | 35.8° | 60.0° |
| C29 | N31 | C32 | H321 | 86.7° | 60.0° |
| C29 | N31 | C32 | H322 | 32.9° | 60.0° |
| N31 | C32 | C33 | H321 | 120.0° | 119.9° |
| N31 | C32 | C33 | H322 | 120.4° | 120.0° |
| N31 | C32 | C33 | C34 | 168.2° | 180.0° |
| N31 | C32 | H321 | H322 | 120.5° | 120.0° |
| N31 | C32 | C33 | H331 | 48.2° | 60.0° |
| N31 | C32 | C33 | H332 | 72.3° | 60.0° |
| C32 | C33 | C34 | H331 | 120.0° | 120.0° |
| C32 | C33 | C34 | H332 | 119.5° | 120.0° |
| C32 | C33 | C34 | C35 | 143.4° | 180.0° |
| C33 | C32 | N31 | H31 | 26.7° | 0.1° |
| C33 | C32 | H321 | H322 | 120.5° | 120.0° |
| C32 | C33 | H331 | H332 | 119.5° | 120.0° |
| C32 | C33 | C34 | H341 | 96.6° | 60.0° |
| C32 | C33 | C34 | H342 | 24.5° | 60.0° |
| C33 | C34 | C35 | H341 | 120.0° | 120.1° |
| C33 | C34 | C35 | H342 | 118.9° | 120.0° |
| C34 | C33 | C32 | H321 | 71.8° | 60.0° |
| C34 | C33 | C32 | H322 | 47.8° | 60.0° |
| C34 | C33 | H331 | H332 | 119.5° | 120.0° |
| C33 | C34 | H341 | H342 | 119.0° | 120.0° |
| C33 | C34 | C35 | H351 | 86.0° | 60.0° |
| C33 | C34 | C35 | H352 | 154.0° | 180.0° |
| C33 | C34 | C35 | H353 | 34.0° | 60.0° |
| C35 | C34 | C33 | H331 | 23.4° | 60.0° |
| C35 | C34 | C33 | H332 | 97.1° | 60.0° |
| C35 | C34 | H341 | H342 | 118.9° | 120.0° |
| C34 | C35 | H351 | H352 | 120.0° | 120.0° |
| C34 | C35 | H351 | H353 | 120.0° | 120.0° |
| C34 | C35 | H352 | H353 | 120.0° | 120.0° |
| H1C1 | C1 | H1C2 | H1C3 | 120.0° | 120.1° |
| H3C1 | C3 | C4 | H4C1 | 129.5° | 179.9° |
| H3C1 | C3 | C4 | H4C2 | 108.9° | 59.9° |
| H3C2 | C3 | C4 | H4C1 | 9.0° | 60.0° |
| H3C2 | C3 | C4 | H4C2 | 130.6° | 180.0° |
| H4C1 | C4 | C5 | H5C1 | 166.0° | 180.0° |
| H4C1 | C4 | C5 | H5C2 | 73.0° | 60.0° |
| H4C2 | C4 | C5 | H5C1 | 44.4° | 60.0° |
| H4C2 | C4 | C5 | H5C2 | 165.3° | 180.0° |
| H8 | C8 | C9 | H9 | 0.4° | 0.1° |
| H9 | C9 | C10 | H10 | 0.3° | 0.0° |
| H10 | C10 | C11 | H11 | 0.4° | 0.0° |
| H15 | N15 | C16 | H161 | 81.2° | 114.8° |
| H15 | N15 | C16 | H162 | 158.7° | 125.2° |
| H161 | C16 | C17 | H17 | 38.2° | 64.1° |
| H162 | C16 | C17 | H17 | 158.3° | 175.9° |
| H17 | C17 | C18 | H18 | 84.9° | 62.8° |
| H17 | C17 | C21 | H211 | 171.3° | 174.2° |
| H17 | C17 | C21 | H212 | 43.0° | 65.8° |
| H18 | C18 | C19 | H191 | 2.7° | 173.8° |
| H18 | C18 | C19 | H192 | 122.7° | 53.8° |
| H18 | C18 | C19 | H193 | 117.3° | 66.2° |
| H18 | C18 | C20 | H201 | 143.0° | 54.9° |
| H18 | C18 | C20 | H202 | 97.0° | 65.1° |
| H18 | C18 | C20 | H203 | 23.0° | 175.0° |
| H211 | C21 | C22 | H22 | 36.5° | 65.3° |
| H212 | C21 | C22 | H22 | 164.8° | 174.7° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| H22 | C22 | N23 | H231 | 164.2° | 173.9° |
| H22 | C22 | N23 | H232 | 75.9° | 50.0° |
| H22 | C22 | C24 | H24 | 75.6° | 60.0° |
| H24 | C24 | O25 | H25 | 15.7° | 180.0° |
| H24 | C24 | C26 | H261 | 165.6° | 174.2° |
| H24 | C24 | C26 | H262 | 71.8° | 65.8° |
| H261 | C26 | C27 | H27 | 71.0° | 66.5° |
| H262 | C26 | C27 | H27 | 166.4° | 173.5° |
| H27 | C27 | C28 | H281 | 6.4° | 55.0° |
| H27 | C27 | C28 | H282 | 113.6° | 65.0° |
| H27 | C27 | C28 | H283 | 126.4° | 175.0° |
| H281 | C28 | H282 | H283 | 120.0° | 119.9° |
| H31 | N31 | C32 | H321 | 93.3° | 120.0° |
| H31 | N31 | C32 | H322 | 147.1° | 120.0° |
| H321 | C32 | C33 | H331 | 168.2° | 180.0° |
| H321 | C32 | C33 | H332 | 47.7° | 60.0° |
| H322 | C32 | C33 | H331 | 72.2° | 60.0° |
| H322 | C32 | C33 | H332 | 167.2° | NaN° |
| H331 | C33 | C34 | H341 | 143.4° | 180.0° |
| H331 | C33 | C34 | H342 | 95.5° | 60.0° |
| H332 | C33 | C34 | H341 | 22.9° | 60.1° |
| H332 | C33 | C34 | H342 | 144.0° | 180.0° |
| H341 | C34 | C35 | H351 | 34.0° | 60.0° |
| H341 | C34 | C35 | H352 | 86.0° | 59.9° |
| H341 | C34 | C35 | H353 | 154.0° | 180.0° |
| H342 | C34 | C35 | H351 | 155.1° | 180.0° |
| H342 | C34 | C35 | H352 | 35.1° | 60.0° |
| H342 | C34 | C35 | H353 | 84.9° | 60.0° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
